SCHEMBL8035801

SCHEMBL8035801

CCCCCCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
TP53 P04637 3/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MC4R P32245 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8031421 0.95 SIGMAR1 (0.48) NPC1RAB9ASIGMAR1TP53KDM4E
SCHEMBL8029935 0.92 SIGMAR1 (0.59) SIGMAR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8029639 0.90 SIGMAR1 (0.50) NPC1RAB9ASIGMAR1TP53KDM4E
SCHEMBL8033363 0.87 HRH3 (0.49) NPC1RAB9ASIGMAR1TP53HPGD
SCHEMBL8031455 0.84 SIGMAR1 (0.53) NPC1RAB9ASIGMAR1TP53KDM4E
SCHEMBL8029642 0.82 SIGMAR1 (0.54) NPC1RAB9ASIGMAR1TP53KDM4E
SCHEMBL8029877 0.82 SIGMAR1 (0.50) NPC1SIGMAR1TP53KDM4EMEN1
SCHEMBL8029908 0.80 SIGMAR1 (0.53) NPC1RAB9ASIGMAR1KDM4EMEN1
SCHEMBL8029869 0.78 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7995558 0.78 LTA4H (0.46) ALDH1A1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed